trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

C16H22F3NO — CID 58954868

IUPACtrans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)C[C@]1(c2ccc(C(F)(F)F)cc2)CCCC[C@@H]1O
InChIInChI=1S/C16H22F3NO/c1-20(2)11-15(10-4-3-5-14(15)21)12-6-8-13(9-7-12)16(17,18)19/h6-9,14,21H,3-5,10-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyVSNMQSVIUKKDGD-GJZGRUSLSA-N
MW301.35 g/mol
LogP3.44
Rot. Bonds3

About trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 58954868) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID58954868
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Nametrans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)C[C@]1(c2ccc(C(F)(F)F)cc2)CCCC[C@@H]1O
InChIInChI=1S/C16H22F3NO/c1-20(2)11-15(10-4-3-5-14(15)21)12-6-8-13(9-7-12)16(17,18)19/h6-9,14,21H,3-5,10-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyVSNMQSVIUKKDGD-GJZGRUSLSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 68673933
cis-(1S,2S)-2-[(dimethylamino)methyl]-2-(4-methoxyphenyl)cyclohexan-1-ol
CID 58954914
trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954805
4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 69328287
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 68673384
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
trans-(1R,2S)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954834
N,N-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methanamine;1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 159283738
trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954817
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 62788683
4-[3-[(1S,2S)-1-[(dimethylamino)methyl]-2-hydroxycyclohexyl]phenoxy]butanoic acid
CID 69027497
1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N,N-dimethylmethanamine
CID 58954957

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 58954868) is trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is CN(C)C[C@]1(c2ccc(C(F)(F)F)cc2)CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is VSNMQSVIUKKDGD-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-20(2)11-15(10-4-3-5-14(15)21)12-6-8-13(9-7-12)16(17,18)19/h6-9,14,21H,3-5,10-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 301.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 58954868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).